(3-chloro-1-adamantyl)-piperidin-1-ylmethanone

C16H24ClNO — CID 4518041

IUPAC(3-chloro-1-adamantyl)-piperidin-1-ylmethanone
SMILESO=C(N1CCCCC1)C12CC3CC(CC(Cl)(C3)C1)C2
InChIInChI=1S/C16H24ClNO/c17-16-9-12-6-13(10-16)8-15(7-12,11-16)14(19)18-4-2-1-3-5-18/h12-13H,1-11H2
InChIKeySKTXCVZIJGIVLT-UHFFFAOYSA-N
MW281.83 g/mol
LogP3.58
Rot. Bonds1

About (3-chloro-1-adamantyl)-piperidin-1-ylmethanone

(3-chloro-1-adamantyl)-piperidin-1-ylmethanone (PubChem CID 4518041) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is (3-chloro-1-adamantyl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(3-chloro-1-adamantyl)-piperidin-1-ylmethanone
PubChem CID4518041
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC Name(3-chloro-1-adamantyl)-piperidin-1-ylmethanone
SMILESO=C(N1CCCCC1)C12CC3CC(CC(Cl)(C3)C1)C2
InChIInChI=1S/C16H24ClNO/c17-16-9-12-6-13(10-16)8-15(7-12,11-16)14(19)18-4-2-1-3-5-18/h12-13H,1-11H2
InChIKeySKTXCVZIJGIVLT-UHFFFAOYSA-N
XLogP3.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-chloro-1-adamantyl)-piperidin-1-ylmethanone?
The IUPAC name of (3-chloro-1-adamantyl)-piperidin-1-ylmethanone (CID 4518041) is (3-chloro-1-adamantyl)-piperidin-1-ylmethanone.
What is the SMILES notation for (3-chloro-1-adamantyl)-piperidin-1-ylmethanone?
The canonical SMILES for (3-chloro-1-adamantyl)-piperidin-1-ylmethanone is O=C(N1CCCCC1)C12CC3CC(CC(Cl)(C3)C1)C2.
What is the InChIKey of (3-chloro-1-adamantyl)-piperidin-1-ylmethanone?
The InChIKey is SKTXCVZIJGIVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c17-16-9-12-6-13(10-16)8-15(7-12,11-16)14(19)18-4-2-1-3-5-18/h12-13H,1-11H2.
What are the key properties of (3-chloro-1-adamantyl)-piperidin-1-ylmethanone?
(3-chloro-1-adamantyl)-piperidin-1-ylmethanone has a molecular weight of 281.83 g/mol, XLogP of 3.58, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-1-adamantyl)-piperidin-1-ylmethanone is sourced from PubChem (CID 4518041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).